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CHEBI:51891 - BODIPY TMR-X

ChEBI IDCHEBI:51891
ChEBI NameBODIPY TMR-X
Stars
Last Modified3 July 2009
SubmitterInma Spiteri
DownloadsMolfile
FormulaC31H35BF2N4O6
Net Charge0
Average Mass608.451
Monoisotopic Mass608.26177
SMILESCOc1ccc(-c2ccc3n2[B-](F)(F)[N+]2=C(C)C(CCC(=O)NCCCCCC(=O)ON4C(=O)CCC4=O)=C(C)C2=C3)cc1
InChIInChI=1S/C31H35BF2N4O6/c1-20-25(13-15-28(39)35-18-6-4-5-7-31(42)44-38-29(40)16-17-30(38)41)21(2)36-27(20)19-23-10-14-26(37(23)32(36,33)34)22-8-11-24(43-3)12-9-22/h8-12,14,19H,4-7,13,15-18H2,1-3H3,(H,35,39)
InChIKeyGRDQURHVJJVDRY-UHFFFAOYSA-N
Roles Classification
Applications:
fluorochrome  A fluorescent dye used to stain biological specimens.
dye 
ChEBI Ontology
Outgoing Relation(s)
BODIPY TMR-X (CHEBI:51891) has functional parent 4,4-difluoro-4-bora-3a,4a-diaza-s-indacene (CHEBI:51107)
BODIPY TMR-X (CHEBI:51891) has role fluorochrome (CHEBI:51217)
BODIPY TMR-X (CHEBI:51891) is a BODIPY dye (CHEBI:51123)
BODIPY TMR-X (CHEBI:51891) is a pyrrolidinone (CHEBI:38275)
IUPAC Name 
[N-{6-[(2,5-dioxopyrrolidin-1-yl)oxy]-6-oxohexyl}-3-(2-{[5-(4-methoxyphenyl)-1H-pyrrol-2-yl-κN]methylene}-3,5-dimethyl-2H-pyrrol-4-yl-κN)propanamidato](difluoro)boron
Synonym  Source
6-((4,4-difluoro-1,3-dimethyl-5-(4-methoxyphenyl)-4- bora-3a,4a-diaza-s-indacene-2-propionyl)amino)hexanoic acid, succinimidyl esterChEBI